Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | P4HB | P07237 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5197081 | 1.00 | CA2 (0.45) | CA2CA1CA12CA3CA6 | |
| SCHEMBL5197078 | 1.00 | CA2 (0.45) | CA2CA1CA12CA3CA6 | |
| SCHEMBL18076909 | 0.81 | CA2 (0.47) | CA2CA1CA12CA3CA6 | |
| SCHEMBL5774267 | 0.81 | TSHR (0.43) | CA2CA1GSK3BALDH1A1CYP2A6 | |
| SCHEMBL6166570 | 0.81 | CA2 (0.47) | CA2CA1CA12CA3CA6 | |
| SCHEMBL28858577 | 0.81 | CA2 (0.52) | CA2CA1CA12CA3CA6 | |
| SCHEMBL28858579 | 0.81 | CA2 (0.52) | CA2CA1CA12CA3CA6 | |
| SCHEMBL5774264 | 0.81 | TSHR (0.43) | CA2CA1GSK3BALDH1A1CYP2A6 | |
| SCHEMBL4617683 | 0.79 | MAPT (0.46) | CA2CA1ALDH1A1RECQLMAPT | |
| SCHEMBL4617688 | 0.79 | MAPT (0.46) | CA2CA1ALDH1A1RECQLMAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1444010-A2 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION | Pharmacia Corporation (US) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003037886-A2 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2003-05-08 | — | — | WO | disclosed |